1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol

C8H18FNO2 — CID 81113554

IUPAC1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCCF
InChIInChI=1S/C8H18FNO2/c1-10(5-3-4-9)6-8(11)7-12-2/h8,11H,3-7H2,1-2H3
InChIKeyMGAQFSPSVHHGLL-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.29
Rot. Bonds7

About 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol

1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 81113554) has the molecular formula C8H18FNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID81113554
Molecular FormulaC8H18FNO2
Molecular Weight179.23 g/mol
Exact Mass179.13
IUPAC Name1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCCF
InChIInChI=1S/C8H18FNO2/c1-10(5-3-4-9)6-8(11)7-12-2/h8,11H,3-7H2,1-2H3
InChIKeyMGAQFSPSVHHGLL-UHFFFAOYSA-N
XLogP0.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
1-[3-benzhydryloxypropyl(methyl)amino]-3-methoxypropan-2-ol
CID 110194014
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-fluoro-3-methoxypropan-2-ol
CID 53422469
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol (CID 81113554) is 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(C)CCCF.
What is the InChIKey of 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is MGAQFSPSVHHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2/c1-10(5-3-4-9)6-8(11)7-12-2/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol?
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 179.23 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 81113554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).